5-(4-chlorophenyl)-N-(4-hydroxycyclohexyl)-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide

C17H21ClN2O3S — CID 139596603

IUPAC5-(4-chlorophenyl)-N-(4-hydroxycyclohexyl)-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide
SMILESCC1C(c2ccc(Cl)cc2)SC(=O)N1C(=O)NC1CCC(O)CC1
InChIInChI=1S/C17H21ClN2O3S/c1-10-15(11-2-4-12(18)5-3-11)24-17(23)20(10)16(22)19-13-6-8-14(21)9-7-13/h2-5,10,13-15,21H,6-9H2,1H3,(H,19,22)
InChIKeyPKHGZSQOESPFGS-UHFFFAOYSA-N
MW368.89 g/mol
LogP3.95
Rot. Bonds2

About 5-(4-chlorophenyl)-N-(4-hydroxycyclohexyl)-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide

5-(4-chlorophenyl)-N-(4-hydroxycyclohexyl)-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide (PubChem CID 139596603) has the molecular formula C17H21ClN2O3S and a molecular weight of 368.89 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-(4-hydroxycyclohexyl)-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-(4-hydroxycyclohexyl)-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide
PubChem CID139596603
Molecular FormulaC17H21ClN2O3S
Molecular Weight368.89 g/mol
Exact Mass368.10
IUPAC Name5-(4-chlorophenyl)-N-(4-hydroxycyclohexyl)-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide
SMILESCC1C(c2ccc(Cl)cc2)SC(=O)N1C(=O)NC1CCC(O)CC1
InChIInChI=1S/C17H21ClN2O3S/c1-10-15(11-2-4-12(18)5-3-11)24-17(23)20(10)16(22)19-13-6-8-14(21)9-7-13/h2-5,10,13-15,21H,6-9H2,1H3,(H,19,22)
InChIKeyPKHGZSQOESPFGS-UHFFFAOYSA-N
XLogP3.95
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.89
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

Hexythiazox
CID 13218777
(4S)-5-(4-chlorophenyl)-N-cyclohexyl-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide
CID 73673
hexythiazox TP1
CID 139595171
Hexythiazox metabolite PT-1-4
CID 139598123
5-(4-chlorophenyl)-N-cyclohexyl-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide
CID 4560140
(4R,5R)-5-(4-chlorophenyl)-N-cyclohexyl-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide
CID 177861
(4R,5S)-5-(4-Chlorophenyl)-N-(2-hydroxycyclohexyl)-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide
CID 177840981
(4R,5S)-5-(4-Chlorophenyl)-N-(3,4-dihydroxycyclohexyl)-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide
CID 177840983
5-(4-chlorophenyl)-4-methyl-N-(2-methylcyclohexyl)-2-oxo-1,3-thiazolidine-3-carboxamide
CID 13239786
(4R,5R)-5-(4-chlorophenyl)-4-methyl-N-(2-methylcyclohexyl)-2-oxo-1,3-thiazolidine-3-carboxamide
CID 13239787
5-(4-chlorophenyl)-4-methyl-N-(4-methylcyclohexyl)-2-oxo-1,3-thiazolidine-3-carboxamide
CID 13239790
(4R,5R)-5-(4-chlorophenyl)-4-methyl-N-(4-methylcyclohexyl)-2-oxo-1,3-thiazolidine-3-carboxamide
CID 13239791

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-(4-hydroxycyclohexyl)-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-(4-hydroxycyclohexyl)-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide (CID 139596603) is 5-(4-chlorophenyl)-N-(4-hydroxycyclohexyl)-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-(4-hydroxycyclohexyl)-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-(4-hydroxycyclohexyl)-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide is CC1C(c2ccc(Cl)cc2)SC(=O)N1C(=O)NC1CCC(O)CC1.
What is the InChIKey of 5-(4-chlorophenyl)-N-(4-hydroxycyclohexyl)-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide?
The InChIKey is PKHGZSQOESPFGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O3S/c1-10-15(11-2-4-12(18)5-3-11)24-17(23)20(10)16(22)19-13-6-8-14(21)9-7-13/h2-5,10,13-15,21H,6-9H2,1H3,(H,19,22).
What are the key properties of 5-(4-chlorophenyl)-N-(4-hydroxycyclohexyl)-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide?
5-(4-chlorophenyl)-N-(4-hydroxycyclohexyl)-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide has a molecular weight of 368.89 g/mol, XLogP of 3.95, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-(4-hydroxycyclohexyl)-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide is sourced from PubChem (CID 139596603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).